4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

C45H32BrNO — CID 159065022

IUPAC4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(Br)ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c13
InChIInChI=1S/C45H32BrNO/c1-45(2)38-16-10-9-15-35(38)36-27-37-42(28-39(36)45)48-44-40(46)25-26-41(43(37)44)47(33-21-17-31(18-22-33)29-11-5-3-6-12-29)34-23-19-32(20-24-34)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyGUBSCWZYRQZOFY-UHFFFAOYSA-N
MW682.66 g/mol
LogP13.46
Rot. Bonds5

About 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (PubChem CID 159065022) has the molecular formula C45H32BrNO and a molecular weight of 682.66 g/mol. Its IUPAC name is 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
PubChem CID159065022
Molecular FormulaC45H32BrNO
Molecular Weight682.66 g/mol
Exact Mass681.17
IUPAC Name4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1c(Br)ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c13
InChIInChI=1S/C45H32BrNO/c1-45(2)38-16-10-9-15-35(38)36-27-37-42(28-39(36)45)48-44-40(46)25-26-41(43(37)44)47(33-21-17-31(18-22-33)29-11-5-3-6-12-29)34-23-19-32(20-24-34)30-13-7-4-8-14-30/h3-28H,1-2H3
InChIKeyGUBSCWZYRQZOFY-UHFFFAOYSA-N
XLogP13.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.66
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
7,7-dimethyl-N,N,1-triphenylfluoreno[2,3-b][1]benzofuran-4-amine
CID 170452545
N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393185
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
9,9-dimethyl-N-[4-(17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433236
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-4-amine
CID 134393027
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine
CID 158598919
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022235
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (CID 159065022) is 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(Br)ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c13.
What is the InChIKey of 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The InChIKey is GUBSCWZYRQZOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32BrNO/c1-45(2)38-16-10-9-15-35(38)36-27-37-42(28-39(36)45)48-44-40(46)25-26-41(43(37)44)47(33-21-17-31(18-22-33)29-11-5-3-6-12-29)34-23-19-32(20-24-34)30-13-7-4-8-14-30/h3-28H,1-2H3.
What are the key properties of 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine has a molecular weight of 682.66 g/mol, XLogP of 13.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 159065022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).